Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.54 |
| ▸ | LCK | P06239 | 1/20 | 0.54 |
| ▸ | FYN | P06241 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.33 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.33 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.33 |
| ▸ | THPO | P40225 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL27935566 | 1.00 | FFAR3 (0.54) | FFAR3LCKFYNALDH1A1TRPA1 | |
| Acetic Acid SCHEMBL28119339 | 1.00 | FFAR3 (0.54) | FFAR3LCKFYNALDH1A1TRPA1 | |
| Bicarbonate SCHEMBL11119970 | 0.88 | ALDH1A1 (0.47) | FFAR3LCKFYNALDH1A1TRPA1 | |
| Bicarbonate SCHEMBL7227147 | 0.88 | ALDH1A1 (0.47) | FFAR3LCKFYNALDH1A1TRPA1 | |
| Acetic Acid SCHEMBL31243581 | 0.85 | FFAR3 (0.39) | FFAR3LCKFYNALDH1A1TRPA1 | |
| 2,4-Hexadienal SCHEMBL28710368 | 0.85 | ALDH1A1 (0.72) | FFAR3LCKFYNALDH1A1TRPA1 | |
| Sorbic Acid SCHEMBL7593461 | 0.85 | TSHR (0.42) | FFAR3LCKFYNALDH1A1TSHR | |
| Sorbic Acid SCHEMBL28856833 | 0.85 | TSHR (0.42) | FFAR3LCKFYNALDH1A1TSHR | |
| Sorbic Acid SCHEMBL7593463 | 0.85 | TSHR (0.42) | FFAR3LCKFYNALDH1A1TSHR | |
| 2,4-Hexadienal SCHEMBL29477397 | 0.85 | ALDH1A1 (0.72) | FFAR3LCKFYNALDH1A1TRPA1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103254069-B | Preparation method for trans, trans-2,4-hexadiene acetate | SHANDONG ACADEMY OF PESTICIDE SCIENCES | 2015-01-21 | — | — | CN | disclosed |
| CN-103254069-B | Preparation method for trans, trans-2,4-hexadiene acetate | SHANDONG ACADEMY OF PESTICIDE SCIENCES | 2015-01-21 | — | — | CN | disclosed |
| CN-103254069-A | Preparation method for trans, trans-2,4-hexadiene acetate | SHANDONG PESTICIDE RES INST | 2013-08-21 | — | — | CN | disclosed |
| CN-103254069-A | Preparation method for trans, trans-2,4-hexadiene acetate | SHANDONG PESTICIDE RES INST | 2013-08-21 | — | — | CN | disclosed |